5-(3,3-dimethylbutyl)cyclopenta-1,3-diene

C11H18 — CID 140816733

IUPAC5-(3,3-dimethylbutyl)cyclopenta-1,3-diene
SMILESCC(C)(C)CCC1C=CC=C1
InChIInChI=1S/C11H18/c1-11(2,3)9-8-10-6-4-5-7-10/h4-7,10H,8-9H2,1-3H3
InChIKeyLEUOHOLTGHTYFK-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds2

About 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene

5-(3,3-dimethylbutyl)cyclopenta-1,3-diene (PubChem CID 140816733) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)cyclopenta-1,3-diene
PubChem CID140816733
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-(3,3-dimethylbutyl)cyclopenta-1,3-diene
SMILESCC(C)(C)CCC1C=CC=C1
InChIInChI=1S/C11H18/c1-11(2,3)9-8-10-6-4-5-7-10/h4-7,10H,8-9H2,1-3H3
InChIKeyLEUOHOLTGHTYFK-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene (CID 140816733) is 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene is CC(C)(C)CCC1C=CC=C1.
What is the InChIKey of 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene?
The InChIKey is LEUOHOLTGHTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-11(2,3)9-8-10-6-4-5-7-10/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene?
5-(3,3-dimethylbutyl)cyclopenta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)cyclopenta-1,3-diene is sourced from PubChem (CID 140816733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).